This script enables you to search EnamineStore, a database of commercially available compounds. This will return details about the availability of specific compounds and find those that are structurally similar to your most interesting hits and leads or contain relevant substructures.
Version
This integration is available to use with StarDrop 7.3, 7.4, and 7.5 (Windows and macOS). To find out which version you have installed, start StarDrop and select the Help>About menu.
If you are using an older version of StarDrop (7.2 and earlier), please contact us at support@optibrium.com and we will be happy to help install this script on your StarDrop client.
Installing the Enamine plug-in for StarDrop
- Exit StarDrop
- Download the appropriate file for your StarDrop client:
- For StarDrop 7.3 or 7.4: StarDrop Script – Enamine.exe
- For StarDrop 7.5: StarDrop Script – Enamine_py3Qt.exe
- When the download is complete, double-click the file to run it and follow the instructions (we recommend that you accept the default options provided)
- Start StarDrop
- Exit StarDrop
- Download the appropriate file for your StarDrop client:
- For StarDrop 7.3 or 7.4: StarDrop Script – Enamine (windows).zip
- For StarDrop 7.5: StarDrop Script – Enamine (windows)_py3Qt.zip
- In your user area, navigate to the StarDrop Python folder in C:\Users\username\AppData\Roaming\StarDrop
- Extract the contents of the zip file into this folder overwriting any existing files
- You should now see the following folders in the StarDrop folder:
py3\Enamine
widgetplugins - Start StarDrop
- Exit StarDrop
- Download the appropriate file for your StarDrop client:
- For StarDrop 7.3 or 7.4: StarDrop Script – Enamine (macOS).zip
- For StarDrop 7.5: StarDrop Script – Enamine (macOS)_py3Qt.zip
- Extract the contents of the zip file into this folder overwriting any existing files, you should now see the following folders in the StarDrop folder:
py3\Enamine
widgetplugins - In your user area, navigate to the StarDrop folder: /Users/username/StarDrop
- Move the unzipped folders, sub-folders, and files into the StarDrop folder, overwriting any existing files
- Start StarDrop
Using the Enamine plug-in for StarDrop.
You must first register on the EnamineStore to obtain an appropriate username and password. Having done so, click on the Custom Scripts->Enamine menu item in StarDrop. There are three options on this menu:
- Sketch structure to use in search: enables you to sketch a structure and search for an exact match, by substructure or similarity to the sketched structure.
- Search by similarity to selected molecule: provides a shortcut to search by similarity to the molecule you have selected in the StarDrop data set.
- Search by Enamine ID: enables you to enter a list of Enamine IDs.
For structural searches, you can choose to search Enamine’s Building block, Screening compounds or REAL database, or you can search all of them simultaneously. Having completed the search, details of the compounds found will be returned in a new data set containing supplier information and hyperlinks into the EnamineStore. A maximum of 300 molecules can be returned from each database that you search.
The first time you start a search you will be prompted to log in, but you’ll only need to do this once in each StarDrop session.